CID 14622133

4,8-dioxatricyclo[4.2.1.0,3,7]nonan-5-one

Structural Information

Molecular Formula
C7H8O3
SMILES
C1C2CC3C(C1C(=O)O3)O2
InChI
InChI=1S/C7H8O3/c8-7-4-1-3-2-5(10-7)6(4)9-3/h3-6H,1-2H2
InChIKey
OMRNRHKURDNAJA-UHFFFAOYSA-N
Compound name
4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1077
Patents

140.04735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 124.3
[M+Na]+ 163.03657 133.3
[M-H]- 139.04007 129.1
[M+NH4]+ 158.08117 151.4
[M+K]+ 179.01051 134.3
[M+H-H2O]+ 123.04461 122.9
[M+HCOO]- 185.04555 144.3
[M+CH3COO]- 199.06120 139.6
[M+Na-2H]- 161.02202 130.0
[M]+ 140.04680 127.0
[M]- 140.04790 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe